SCHEMBL27367754

SCHEMBL27367754

CC(C)N(C)CCc1cccc2ccc(Cl)cc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.52
MTNR1A P48039 7/20 0.42
MTNR1B P49286 6/20 0.42
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
HCRTR1 O43613 1/20 0.37
NQO2 P16083 3/20 0.36
TAAR1 Q96RJ0 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
SLC6A4 P31645 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27366111 0.85 HTR2A (0.64) HTR2AMTNR1AMTNR1BHTR2BTAAR1
SCHEMBL27365895 0.83 HTR2A (0.59) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL27366186 0.83 HTR2A (0.52) HTR2AMTNR1AMTNR1BHTR2CHTR2B
Hydrochloric Acid SCHEMBL31332043 0.82 HTR2A (0.58) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL27366114 0.82 HTR2A (0.60) HTR2AMTNR1AHTR2CHTR2BNQO2
SCHEMBL27365826 0.81 HTR2A (0.75) HTR2AMTNR1AMTNR1BHTR2CHTR2B
Hydrochloric Acid SCHEMBL31499084 0.80 HTR2A (0.59) HTR2AHTR2CHTR2BNQO2CYP1A2
Hydrochloric Acid SCHEMBL31332085 0.80 HTR2A (0.73) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL27366117 0.78 HTR2A (0.54) HTR2AMTNR1AMTNR1BHCRTR1TAAR1
SCHEMBL27367756 0.78 HTR2A (0.47) HTR2AMTNR1AMTNR1BHTR2CHTR2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023230649-A1 COMPOUNDS Psylo Pty Ltd (AU) 2023-12-07 WO disclosed